L-(+)-Penicillamine

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Names

[ CAS No. ]:
52-66-4

[ Name ]:
L-(+)-Penicillamine

[Synonym ]:
2-Amino-3-mercapto-3-methylbutanoic acid
3-mercapto-L-valine
3-Sulfanyl-L-valine
EINECS 200-147-2
L-Penicillamine
DL-β,β-Dimethylcysteine
(R)-penicillamine
DL-β-Mercaptovaline
DL-Penicillamine
DL-Beta,Beta-Dimethylcysteine
DL-.β.-Mercaptovaline
(2R)-2-amino-3-mercapto-3-methyl-butyric acid
(2R)-2-amino-3-mercapto-3-methylbutanoic acid
MFCD00004856
L-Valine, 3-mercapto-

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
251.8±35.0 °C at 760 mmHg

[ Melting Point ]:
208-212ºC

[ Molecular Formula ]:
C5H11NO2S

[ Molecular Weight ]:
149.211

[ Flash Point ]:
106.1±25.9 °C

[ Exact Mass ]:
149.051056

[ PSA ]:
102.12000

[ LogP ]:
0.93

[ Vapour Pressure ]:
0.0±1.1 mmHg at 25°C

[ Index of Refraction ]:
1.528

[ Storage condition ]:
2-8°C

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YV9445000
CHEMICAL NAME :
Valine, 3-mercapto-, DL-
CAS REGISTRY NUMBER :
52-66-4
BEILSTEIN REFERENCE NO. :
2039817
LAST UPDATED :
199709
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C5-H11-N-O2-S
MOLECULAR WEIGHT :
149.23
WISWESSER LINE NOTATION :
QVYZX1&1&SH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
365 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
209 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
358 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
Phage inhibition capacity
TEST SYSTEM :
Bacteria - Escherichia coli
DOSE/DURATION :
100 mg/L
REFERENCE :
APMBAY Applied Microbiology. (Washington, DC) V.1-30, 1953-75. For publisher information, see AEMIDF. Volume(issue)/page/year: 12,234,1964 *** REVIEWS *** TOXICOLOGY REVIEW PBPSDY Pharmacological and Biochemical Properties of Drug Substances. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.1- 1977- Volume(issue)/page/year: 2,465,1979

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302-H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Faceshields;Gloves

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R22

[ Safety Phrases ]:
S26;S36

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
YV9445000

[ HS Code ]:
2930909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 4-Bromo-1-pentene
  • L-penicillamine
  • N-ACETYL-DL-PENICILLAMINE
  • Methyl mercaptan
  • S-nitroso-N-acetylpenicillamine
  • Penicillin G potassium
  • Thioacetic acid
  • 2-Butenoic acid,2-(acetylamino)-3-methyl-

DownStream

  • N-(2,2-dimethyl-4-oxothietan-3-yl)acetamide
  • 2-methyl-4-propan-2-ylidene-1,3-oxazol-5-one
  • 2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid
  • (R)-5,5-Dimethyl-1,3-thiazolidine-4-carboxylic acid
  • (S)-5,5-dimethylthiazolidine-4-carboxylic acid
  • S-nitroso-N-acetylpenicillamine
  • mercaptoethanol
  • N-Acetyl-3-(nitrososulfanyl)valine
  • 4-Thiazolidinecarboxylicacid, 5,5-dimethyl-
  • (R)-3-(tert-Butoxycarbonyl)-5,5-dimethylthiazolidine-4-carboxylic acid

Customs

[ HS Code ]: 2930909090

[ Summary ]:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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